4-(4-butylphenyl)sulfonyl-N-naphthalen-1-yl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-naphthalen-1-yl-piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-(1-naphthyl)piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-(1-naphthalenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-naphthalen-1-ylpiperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-(1-naphthyl)piperazine-1-carbothioamide Formula: C25H29N3O2S2 MolecularWeight: 467.64666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O2S2/c1-2-3-7-20-12-14-22(15-13-20)32(29,30)28-18-16-27(17-19-28)25(31)26-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-15H,2-3,7,16-19H2,1H3,(H,26,31)